Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0025338)
Spectrum Details
MiMe ID: | MMDBc0025338 |
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Compound Name: | Microcolin L |
Derivative IUPAC Name: | (2S,4R)-N-[(1S,2R)-2-(acetyloxy)-1-{methyl[(2S)-3-methyl-1-[(2S,4S)-2-[(2S)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carbonyl]-4-[(trimethylsilyl)oxy]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoyl}propyl]-4-methyl-2-[(2R,4R)-N,2,4-trimethyloctanamido]hexanimidic acid |
Derivative SMILES: | CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](C[C@H](C)CC)C(O)=N[C@H](C(=O)N(C)[C@H](C(=O)N1C[C@@H](O[Si](C)(C)C)C[C@H]1C(=O)N1C(=O)C=C[C@@H]1C)C(C)C)[C@@H](C)OC(C)=O |
Derivative InChIKey: | InChIKey=OWWXDOSTGZCCGC-RWZMAUEJSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive |
Splash Key: | Not Available |
Notes: | This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
Ionization Mode: | Positive |
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Ionization Energy: | 70 eV |
Chromatography Type: | Gas Chromatography Column (GC) |
Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
Mass Resolution: | 0.0001 Da |
Molecular Formula: | C40H67N5O9 |
Molecular Weight (Monoisotopic Mass): | 761.4939 Da |
Derivative Type: | TMS_1_2 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document Description | Download | File Size |
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Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References